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CAS 383412-05-3

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1-Methylhexyl 2-chloroacetate

Description:
1-Methylhexyl 2-chloroacetate is an organic compound characterized by its ester functional group, which is formed from the reaction of 1-methylhexanol and chloroacetic acid. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic alkyl chain. The presence of the chloroacetate moiety imparts certain reactivity, making it useful in various chemical syntheses and applications, including as an intermediate in the production of pharmaceuticals and agrochemicals. Its molecular structure contributes to its physical properties, such as boiling point and density, which are influenced by the length of the carbon chain and the presence of chlorine. Safety data indicates that, like many chlorinated compounds, it should be handled with care, as it may pose health risks upon exposure. Proper storage and handling protocols are essential to mitigate any potential hazards associated with this substance.
Formula:C9H17ClO2
InChI:InChI=1S/C9H17ClO2/c1-3-4-5-6-8(2)12-9(11)7-10/h8H,3-7H2,1-2H3
InChI key:InChIKey=GKOMRSJNZZXVMU-UHFFFAOYSA-N
SMILES:O(C(CCCCC)C)C(CCl)=O
Synonyms:
  • Heptan-2-yl chloroacetate
  • Acetic acid, 2-chloro-, 1-methylhexyl ester
  • Acetic acid, chloro-, 1-methylhexyl ester
  • acetic acid, 2-chloro-, 1-methylhexyl ester
  • Heptan-2-yl chloroacetate
  • 1-Methylhexyl 2-chloroacetate
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